benzyl 2-[(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-cyclohexylcarbamoyl]-5-oxopyrrolidine-1-carboxylate

C25H34N4O5 — CID 90850845

IUPACbenzyl 2-[(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-cyclohexylcarbamoyl]-5-oxopyrrolidine-1-carboxylate
SMILESNC(C(=O)N1CCCC1)N(C(=O)C1CCC(=O)N1C(=O)OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C25H34N4O5/c26-22(24(32)27-15-7-8-16-27)28(19-11-5-2-6-12-19)23(31)20-13-14-21(30)29(20)25(33)34-17-18-9-3-1-4-10-18/h1,3-4,9-10,19-20,22H,2,5-8,11-17,26H2
InChIKeyUABYMDCLKAUIIN-UHFFFAOYSA-N
MW470.57 g/mol
LogP2.38
Rot. Bonds6

About benzyl 2-[(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-cyclohexylcarbamoyl]-5-oxopyrrolidine-1-carboxylate

benzyl 2-[(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-cyclohexylcarbamoyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 90850845) has the molecular formula C25H34N4O5 and a molecular weight of 470.57 g/mol. Its IUPAC name is benzyl 2-[(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-cyclohexylcarbamoyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-cyclohexylcarbamoyl]-5-oxopyrrolidine-1-carboxylate
PubChem CID90850845
Molecular FormulaC25H34N4O5
Molecular Weight470.57 g/mol
Exact Mass470.25
IUPAC Namebenzyl 2-[(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-cyclohexylcarbamoyl]-5-oxopyrrolidine-1-carboxylate
SMILESNC(C(=O)N1CCCC1)N(C(=O)C1CCC(=O)N1C(=O)OCc1ccccc1)C1CCCCC1
InChIInChI=1S/C25H34N4O5/c26-22(24(32)27-15-7-8-16-27)28(19-11-5-2-6-12-19)23(31)20-13-14-21(30)29(20)25(33)34-17-18-9-3-1-4-10-18/h1,3-4,9-10,19-20,22H,2,5-8,11-17,26H2
InChIKeyUABYMDCLKAUIIN-UHFFFAOYSA-N
XLogP2.38
TPSA113.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze benzyl 2-[(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-cyclohexylcarbamoyl]-5-oxopyrrolidine-1-carboxylate with MolForge

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Related Compounds

dicyclohexylazanium;(2S)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylate
CID 121230078
(2R)-5-oxo-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 688429
1-O-benzyl 2-O-methyl 5-oxopyrrolidine-1,2-dicarboxylate
CID 11196673
dibenzyl (2S)-6-oxopiperidine-1,2-dicarboxylate
CID 10642717
benzyl piperidine-1-carboxylate
CID 158057698
benzyl (5R)-2-oxo-5-(phenylcarbamoyl)pyrrolidine-1-carboxylate
CID 684653
benzyl (2S)-2-(3-diazo-2-oxopropanoyl)-5-oxopyrrolidine-1-carboxylate
CID 54304369
1-O-benzyl 2-O-(2,5-dihydroxypyrrol-1-yl) (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 54546875
benzyl (5R)-2-oxo-5-[[(1R)-1-phenylethyl]carbamoyl]pyrrolidine-1-carboxylate
CID 126005827
(5R)-2-oxo-5-phenylmethoxycarbonylpyrrolidine-1-carboxylic acid
CID 156766666
benzyl 4-(dimethylamino)azepane-1-carboxylate
CID 59598099
4-oxo-1-phenylmethoxycarbonylazetidine-2-carboxylic acid
CID 71382493

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-cyclohexylcarbamoyl]-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of benzyl 2-[(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-cyclohexylcarbamoyl]-5-oxopyrrolidine-1-carboxylate (CID 90850845) is benzyl 2-[(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-cyclohexylcarbamoyl]-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-cyclohexylcarbamoyl]-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for benzyl 2-[(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-cyclohexylcarbamoyl]-5-oxopyrrolidine-1-carboxylate is NC(C(=O)N1CCCC1)N(C(=O)C1CCC(=O)N1C(=O)OCc1ccccc1)C1CCCCC1.
What is the InChIKey of benzyl 2-[(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-cyclohexylcarbamoyl]-5-oxopyrrolidine-1-carboxylate?
The InChIKey is UABYMDCLKAUIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O5/c26-22(24(32)27-15-7-8-16-27)28(19-11-5-2-6-12-19)23(31)20-13-14-21(30)29(20)25(33)34-17-18-9-3-1-4-10-18/h1,3-4,9-10,19-20,22H,2,5-8,11-17,26H2.
What are the key properties of benzyl 2-[(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-cyclohexylcarbamoyl]-5-oxopyrrolidine-1-carboxylate?
benzyl 2-[(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-cyclohexylcarbamoyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 470.57 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)-cyclohexylcarbamoyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 90850845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).